Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL7936716 | 0.95 | — | — | |
| Bicarbonate SCHEMBL10666508 | 0.95 | CA1 (0.67) | — | |
| Bicarbonate SCHEMBL9663662 | 0.90 | CA1 (0.60) | — | |
| Bicarbonate SCHEMBL9324369 | 0.90 | CA1 (0.60) | — | |
| Bicarbonate SCHEMBL28386459 | 0.90 | — | — | |
| Bicarbonate SCHEMBL11227999 | 0.90 | CA1 (0.60) | — | |
| Bicarbonate SCHEMBL9638489 | 0.90 | CA1 (0.60) | — | |
| Bicarbonate SCHEMBL11882345 | 0.90 | — | — | |
| Bicarbonate SCHEMBL28650116 | 0.90 | CA1 (0.60) | — | |
| Bicarbonate SCHEMBL11227996 | 0.90 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4322214-A | USING A SULFUR OR SULFURIZED VAT DYE IN AN ALKALINE BATH CONTAINING A MERCAPTO COMPOUND AND A SULFITE SALT; LEVELING | ASAHI CHEMICAL COMPANY LIMITED (JP) | 1982-03-30 | — | — | US | disclosed |